⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16848547 | 0.87 | TYMS (0.34) | — | |
| SCHEMBL16848545 | 0.85 | — | — | |
| SCHEMBL21524810 | 0.80 | TYMS (0.30) | — | |
| SCHEMBL22416321 | 0.78 | PDE6D (0.35) | — | |
| SCHEMBL22416195 | 0.77 | PDE6D (0.31) | — | |
| SCHEMBL16848549 | 0.77 | — | — | |
| SCHEMBL16850572 | 0.77 | — | — | |
| SCHEMBL21524842 | 0.77 | POLB (0.32) | — | |
| SCHEMBL16848548 | 0.76 | — | — | |
| SCHEMBL16848544 | 0.74 | METAP2 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10461269-B2 | Crosslinkable, /polymerizable and combinations thereof charge-transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications and method of making same | MOLECULAR GLASSES, INC. (US) | 2019-10-29 | — | — | US | disclosed |